Vitas-M small molecule compound
1-(4-bromophenyl)-2-({5-[3-(4-methoxyphenyl)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Catalog ID
STK336197
SMILES COc1ccc(cc1)CCCc1nnc(n1C)SCC(=O)c1ccc(cc1)Br
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H22BrN3O2S MW 460.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN3O2S/c1-25-20(5-3-4-15-6-12-18(27-2)13-7-15)23-24-21(25)28-14-19(26)16-8-10-17(22)11-9-16/h6-13H,3-5,14H2,1-2H3InChIKey
HRUAOXHDGVNHJB-UHFFFAOYSA-NSynonyms
1(4BROMOPHENYL)2((5(3(4METHOXYPHENYL)PROPYL)4METHYL124TRIAZOL3YL)SULFANYL)ETHANONE
1(4BROMOPHENYL)2((5(3(4METHOXYPHENYL)PROPYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ETHANONE
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CCCC3=CC=C(C=C3)OC
InChI=1SC21H22BrN3O2Sc12520(5341561218(272)13715)232421(25)281419(26)1681017(22)11916h613H3514H212H3
MFCD09964570
ZINC000018201292
ZINC18201292
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